8STB
The structure of abxF, an enzyme catalyzing the formation of the chiral spiroketal of an anthrabenzoxocinone antibiotic, (-)-ABX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-02-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.95374 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 76.029, 76.029, 166.752 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.180 - 2.220 |
R-factor | 0.2043 |
Rwork | 0.201 |
R-free | 0.23440 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.456 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.255 | 2.300 |
High resolution limit [Å] | 2.220 | 2.220 |
Rmerge | 0.190 | 0.437 |
Rmeas | 0.194 | 0.445 |
Rpim | 0.038 | 0.085 |
Number of reflections | 24967 | 2294 |
<I/σ(I)> | 13.25 | |
Completeness [%] | 98.0 | 93.79 |
Redundancy | 26.5 | 27 |
CC(1/2) | 0.993 | 0.978 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 2 M ammonium sulphate, 0.001 M zinc chloride, and 0.1 M Bis-tris, pH 6.5 |